N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide

C10H16N2O — CID 168935775

IUPACN-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide
SMILESCC/C(C)=C/C(=N\NC=O)C1CC1
InChIInChI=1S/C10H16N2O/c1-3-8(2)6-10(9-4-5-9)12-11-7-13/h6-7,9H,3-5H2,1-2H3,(H,11,13)/b8-6+,12-10+
InChIKeyYJFJSTCJLALPIH-VTKKNFPDSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds5

About N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide

N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide (PubChem CID 168935775) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide
PubChem CID168935775
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide
SMILESCC/C(C)=C/C(=N\NC=O)C1CC1
InChIInChI=1S/C10H16N2O/c1-3-8(2)6-10(9-4-5-9)12-11-7-13/h6-7,9H,3-5H2,1-2H3,(H,11,13)/b8-6+,12-10+
InChIKeyYJFJSTCJLALPIH-VTKKNFPDSA-N
XLogP1.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide?
The IUPAC name of N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide (CID 168935775) is N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide.
What is the SMILES notation for N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide?
The canonical SMILES for N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide is CC/C(C)=C/C(=N\NC=O)C1CC1.
What is the InChIKey of N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide?
The InChIKey is YJFJSTCJLALPIH-VTKKNFPDSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8(2)6-10(9-4-5-9)12-11-7-13/h6-7,9H,3-5H2,1-2H3,(H,11,13)/b8-6+,12-10+.
What are the key properties of N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide?
N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide has a molecular weight of 180.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide is sourced from PubChem (CID 168935775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).