1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone

C12H17NO — CID 175616692

IUPAC1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone
SMILESC=C(/N=C(C)/C=C\C)[C@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C12H17NO/c1-5-6-8(2)13-9(3)11-7-12(11)10(4)14/h5-6,11-12H,3,7H2,1-2,4H3/b6-5-,13-8+/t11-,12-/m1/s1
InChIKeyVDKFGNYFQAZONL-MBPPZLJWSA-N
MW191.27 g/mol
LogP2.76
Rot. Bonds4

About 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone

1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone (PubChem CID 175616692) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone
PubChem CID175616692
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone
SMILESC=C(/N=C(C)/C=C\C)[C@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C12H17NO/c1-5-6-8(2)13-9(3)11-7-12(11)10(4)14/h5-6,11-12H,3,7H2,1-2,4H3/b6-5-,13-8+/t11-,12-/m1/s1
InChIKeyVDKFGNYFQAZONL-MBPPZLJWSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone (CID 175616692) is 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone is C=C(/N=C(C)/C=C\C)[C@H]1C[C@@H]1C(C)=O.
What is the InChIKey of 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone?
The InChIKey is VDKFGNYFQAZONL-MBPPZLJWSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-6-8(2)13-9(3)11-7-12(11)10(4)14/h5-6,11-12H,3,7H2,1-2,4H3/b6-5-,13-8+/t11-,12-/m1/s1.
What are the key properties of 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone?
1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone is sourced from PubChem (CID 175616692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).