tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate

C14H20N2O3 — CID 9391101

IUPACtert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-9-7-11(9)12-6-5-10(18-12)8-15-16-13(17)19-14(2,3)4/h5-6,8-9,11H,7H2,1-4H3,(H,16,17)/b15-8-/t9-,11-/m1/s1
InChIKeyDNNHCODYVQFREJ-JTAQHWGRSA-N
MW264.32 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate

tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate (PubChem CID 9391101) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
PubChem CID9391101
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-9-7-11(9)12-6-5-10(18-12)8-15-16-13(17)19-14(2,3)4/h5-6,8-9,11H,7H2,1-4H3,(H,16,17)/b15-8-/t9-,11-/m1/s1
InChIKeyDNNHCODYVQFREJ-JTAQHWGRSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391704
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 9396397
1-ethyl-3-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9392217
1-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-propan-2-ylthiourea
CID 9392690
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
(3S)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,1-dioxothiolane-3-carboxamide
CID 9398296
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]hydroxylamine
CID 129431237
N-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]hydroxylamine
CID 71831994
2-(3,4-dimethylphenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9393088

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate (CID 9391101) is tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate is C[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate?
The InChIKey is DNNHCODYVQFREJ-JTAQHWGRSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-11(9)12-6-5-10(18-12)8-15-16-13(17)19-14(2,3)4/h5-6,8-9,11H,7H2,1-4H3,(H,16,17)/b15-8-/t9-,11-/m1/s1.
What are the key properties of tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate?
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate has a molecular weight of 264.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate is sourced from PubChem (CID 9391101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).