N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide

C15H21N3O2 — CID 106894024

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCN(CC/C(N)=N/O)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H21N3O2/c1-2-18(8-7-14(16)17-20)15(19)13-9-11-5-3-4-6-12(11)10-13/h3-6,13,20H,2,7-10H2,1H3,(H2,16,17)
InChIKeyWSWRWIZZGZNFSR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894024) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894024
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCN(CC/C(N)=N/O)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H21N3O2/c1-2-18(8-7-14(16)17-20)15(19)13-9-11-5-3-4-6-12(11)10-13/h3-6,13,20H,2,7-10H2,1H3,(H2,16,17)
InChIKeyWSWRWIZZGZNFSR-UHFFFAOYSA-N
XLogP1.39
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide (CID 106894024) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide is CCN(CC/C(N)=N/O)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is WSWRWIZZGZNFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-18(8-7-14(16)17-20)15(19)13-9-11-5-3-4-6-12(11)10-13/h3-6,13,20H,2,7-10H2,1H3,(H2,16,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).