N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide

C15H14N2O2 — CID 3097442

IUPACN-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccco1)C1CC1c1ccccc1
InChIInChI=1S/C15H14N2O2/c18-15(17-16-10-12-7-4-8-19-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14H,9H2,(H,17,18)
InChIKeyQFXRPRZJDAYKGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.53
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide

N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3097442) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
PubChem CID3097442
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccco1)C1CC1c1ccccc1
InChIInChI=1S/C15H14N2O2/c18-15(17-16-10-12-7-4-8-19-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14H,9H2,(H,17,18)
InChIKeyQFXRPRZJDAYKGA-UHFFFAOYSA-N
XLogP2.53
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide (CID 3097442) is N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide is O=C(NN=Cc1ccco1)C1CC1c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QFXRPRZJDAYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(17-16-10-12-7-4-8-19-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14H,9H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3097442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).