N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine

C10H14ClN — CID 123224720

IUPACN-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C(=C)/C(Cl)=C\C
InChIInChI=1S/C10H14ClN/c1-5-9(6-2)12-8(4)10(11)7-3/h5,7H,1,4,6H2,2-3H3/b10-7+,12-9+
InChIKeyNFUDBXKUSFDKGP-NWABJRNTSA-N
MW183.68 g/mol
LogP3.68
Rot. Bonds4

About N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine

N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine (PubChem CID 123224720) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine
PubChem CID123224720
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC NameN-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C(=C)/C(Cl)=C\C
InChIInChI=1S/C10H14ClN/c1-5-9(6-2)12-8(4)10(11)7-3/h5,7H,1,4,6H2,2-3H3/b10-7+,12-9+
InChIKeyNFUDBXKUSFDKGP-NWABJRNTSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine?
The IUPAC name of N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine (CID 123224720) is N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine.
What is the SMILES notation for N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine?
The canonical SMILES for N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine is C=C/C(CC)=N\C(=C)/C(Cl)=C\C.
What is the InChIKey of N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine?
The InChIKey is NFUDBXKUSFDKGP-NWABJRNTSA-N. The full InChI is InChI=1S/C10H14ClN/c1-5-9(6-2)12-8(4)10(11)7-3/h5,7H,1,4,6H2,2-3H3/b10-7+,12-9+.
What are the key properties of N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine?
N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine has a molecular weight of 183.68 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine is sourced from PubChem (CID 123224720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).