(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide

C19H23N3O3 — CID 6990543

IUPAC(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C19H23N3O3/c23-18(21-20-12-13-3-5-17(6-4-13)22(24)25)19-9-14-1-2-15(10-19)8-16(7-14)11-19/h3-6,12,14-16H,1-2,7-11H2,(H,21,23)/b20-12-/t14-,15+,16?,19?
InChIKeyHDLLTKYVBXHTLK-WQJJEPCVSA-N
MW341.41 g/mol
LogP3.65
Rot. Bonds4

About (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide

(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide (PubChem CID 6990543) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
PubChem CID6990543
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C19H23N3O3/c23-18(21-20-12-13-3-5-17(6-4-13)22(24)25)19-9-14-1-2-15(10-19)8-16(7-14)11-19/h3-6,12,14-16H,1-2,7-11H2,(H,21,23)/b20-12-/t14-,15+,16?,19?
InChIKeyHDLLTKYVBXHTLK-WQJJEPCVSA-N
XLogP3.65
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
(3S,6R)-N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 135750429
1-(1-adamantyl)-3-[(4-nitrophenyl)methylideneamino]thiourea
CID 4642225
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N'-[(E)-(4-nitrophenyl)methylideneamino]adamantane-1-carboximidamide
CID 56693486
1-N,3-N-bis[(E)-(4-bromophenyl)methylideneamino]adamantane-1,3-dicarboxamide
CID 170444825
N-[(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5022833
(1R,4Z,8R)-N-[(Z)-(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 11914006
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The IUPAC name of (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide (CID 6990543) is (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide.
What is the SMILES notation for (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The canonical SMILES for (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The InChIKey is HDLLTKYVBXHTLK-WQJJEPCVSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(21-20-12-13-3-5-17(6-4-13)22(24)25)19-9-14-1-2-15(10-19)8-16(7-14)11-19/h3-6,12,14-16H,1-2,7-11H2,(H,21,23)/b20-12-/t14-,15+,16?,19?.
What are the key properties of (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide?
(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide is sourced from PubChem (CID 6990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).