(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine

C8H12ClN — CID 142547597

IUPAC(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/Cl)C(=C)C
InChIInChI=1S/C8H12ClN/c1-4-7(5-10)8(9)6(2)3/h4H,1-2,5,10H2,3H3/b8-7-
InChIKeyKVRLVMNFGODCQX-FPLPWBNLSA-N
MW157.64 g/mol
LogP2.20
Rot. Bonds3

About (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine

(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine (PubChem CID 142547597) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
PubChem CID142547597
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/Cl)C(=C)C
InChIInChI=1S/C8H12ClN/c1-4-7(5-10)8(9)6(2)3/h4H,1-2,5,10H2,3H3/b8-7-
InChIKeyKVRLVMNFGODCQX-FPLPWBNLSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
3-chloro-2,4-dimethylpenta-1,3-diene
CID 13275142
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
CID 145065726
3-ethyl-4-prop-1-en-2-ylhepta-1,3,6-triene
CID 141197740
(3E)-3-chloro-6-methyl-5-methylidenehepta-1,3,6-triene
CID 142076420
acetic acid;2-chlorobuta-1,3-diene
CID 87071838

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine (CID 142547597) is (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine is C=C/C(CN)=C(/Cl)C(=C)C.
What is the InChIKey of (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine?
The InChIKey is KVRLVMNFGODCQX-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-7(5-10)8(9)6(2)3/h4H,1-2,5,10H2,3H3/b8-7-.
What are the key properties of (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine?
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine has a molecular weight of 157.64 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142547597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).