N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide

C9H13ClN2O — CID 164585960

IUPACN-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)N/C(CC)=C(/C)Cl
InChIInChI=1S/C9H13ClN2O/c1-4-8(7(3)10)12-9(13)6(2)5-11/h5,11H,2,4H2,1,3H3,(H,12,13)/b8-7-,11-5+
InChIKeyOGKWIXMFEKXTAN-LTCQKBRTSA-N
MW200.67 g/mol
LogP2.19
Rot. Bonds4

About N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide

N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide (PubChem CID 164585960) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide.

Molecular Properties

Compound NameN-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide
PubChem CID164585960
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameN-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)N/C(CC)=C(/C)Cl
InChIInChI=1S/C9H13ClN2O/c1-4-8(7(3)10)12-9(13)6(2)5-11/h5,11H,2,4H2,1,3H3,(H,12,13)/b8-7-,11-5+
InChIKeyOGKWIXMFEKXTAN-LTCQKBRTSA-N
XLogP2.19
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorohexa-2,4-dien-2-yl)-2-(methyliminomethyl)prop-2-enamide
CID 123446502
N-(4-chloropenta-1,3-dien-2-yl)-2-(methyliminomethyl)hex-2-enamide
CID 123557280
N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
CID 129171349

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide?
The IUPAC name of N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide (CID 164585960) is N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide.
What is the SMILES notation for N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide?
The canonical SMILES for N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide is [H]/N=C/C(=C)C(=O)N/C(CC)=C(/C)Cl.
What is the InChIKey of N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide?
The InChIKey is OGKWIXMFEKXTAN-LTCQKBRTSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-4-8(7(3)10)12-9(13)6(2)5-11/h5,11H,2,4H2,1,3H3,(H,12,13)/b8-7-,11-5+.
What are the key properties of N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide?
N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide has a molecular weight of 200.67 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-chloropent-2-en-3-yl]-2-methanimidoylprop-2-enamide is sourced from PubChem (CID 164585960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).