N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide

C13H20N2O — CID 4219889

IUPACN-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(=NNC(=O)C1C2CCCCC21)C1CC1
InChIInChI=1S/C13H20N2O/c1-8(9-6-7-9)14-15-13(16)12-10-4-2-3-5-11(10)12/h9-12H,2-7H2,1H3,(H,15,16)
InChIKeyRPHUYGUHIPAXGD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds3

About N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide

N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 4219889) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID4219889
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(=NNC(=O)C1C2CCCCC21)C1CC1
InChIInChI=1S/C13H20N2O/c1-8(9-6-7-9)14-15-13(16)12-10-4-2-3-5-11(10)12/h9-12H,2-7H2,1H3,(H,15,16)
InChIKeyRPHUYGUHIPAXGD-UHFFFAOYSA-N
XLogP2.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide (CID 4219889) is N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide is CC(=NNC(=O)C1C2CCCCC21)C1CC1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RPHUYGUHIPAXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(9-6-7-9)14-15-13(16)12-10-4-2-3-5-11(10)12/h9-12H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 4219889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).