N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride

C10H16ClNO — CID 123627963

IUPACN-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
SMILESC/C=C(\N=C(/Cl)CCCC)C(C)=O
InChIInChI=1S/C10H16ClNO/c1-4-6-7-10(11)12-9(5-2)8(3)13/h5H,4,6-7H2,1-3H3/b9-5-,12-10-
InChIKeyDFSNCLQLLZGBCB-RJCIERIKSA-N
MW201.70 g/mol
LogP3.31
Rot. Bonds5

About N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride

N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride (PubChem CID 123627963) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
PubChem CID123627963
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
SMILESC/C=C(\N=C(/Cl)CCCC)C(C)=O
InChIInChI=1S/C10H16ClNO/c1-4-6-7-10(11)12-9(5-2)8(3)13/h5H,4,6-7H2,1-3H3/b9-5-,12-10-
InChIKeyDFSNCLQLLZGBCB-RJCIERIKSA-N
XLogP3.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.31
H-Bond Donors ≤ 50
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

ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
CID 143343534
pentanoyl chloride;hydrofluoride
CID 174423538
hypochlorous acid;pentanoic acid
CID 157152267
(2E)-2-ethylidene-N-methylidenehexanamide
CID 129137077
(Z)-3-methylpent-3-en-2-one;pentane
CID 54554891
(E)-3-methyldodec-2-en-4-one
CID 102121544
3-diazoheptan-2-one
CID 101114656
(1Z)-N-hydroxyhexanimidoyl chloride
CID 13031985
2-methyl-1-(methylamino)hept-1-en-3-one
CID 71321613
acetic acid;pentanoic acid
CID 87061456
ethene;hexan-2-one
CID 88765599
acetamide;pentanamide
CID 158041283

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride?
The IUPAC name of N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride (CID 123627963) is N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride.
What is the SMILES notation for N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride?
The canonical SMILES for N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride is C/C=C(\N=C(/Cl)CCCC)C(C)=O.
What is the InChIKey of N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride?
The InChIKey is DFSNCLQLLZGBCB-RJCIERIKSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-4-6-7-10(11)12-9(5-2)8(3)13/h5H,4,6-7H2,1-3H3/b9-5-,12-10-.
What are the key properties of N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride?
N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride has a molecular weight of 201.70 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride is sourced from PubChem (CID 123627963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).