(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol

C9H15NO — CID 163779494

IUPAC(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol
SMILESC=C/C=N/C=C(/CC)C(C)O
InChIInChI=1S/C9H15NO/c1-4-6-10-7-9(5-2)8(3)11/h4,6-8,11H,1,5H2,2-3H3/b9-7-,10-6+
InChIKeyMNKYYICZWQQHNT-ODUODFHUSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds4

About (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol

(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol (PubChem CID 163779494) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol.

Molecular Properties

Compound Name(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol
PubChem CID163779494
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol
SMILESC=C/C=N/C=C(/CC)C(C)O
InChIInChI=1S/C9H15NO/c1-4-6-10-7-9(5-2)8(3)11/h4,6-8,11H,1,5H2,2-3H3/b9-7-,10-6+
InChIKeyMNKYYICZWQQHNT-ODUODFHUSA-N
XLogP1.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
CID 170195757
(3E)-3-ethylocta-3,7-dien-2-ol
CID 88713488
N-[(E)-2-ethenyl-3-propylhex-1-enyl]prop-2-en-1-imine
CID 170231500
CID 172586051
CID 172586051
2-prop-2-enylidenebutane-1,3-diol
CID 175263998
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
4-ethylpyridazine;N-[(E)-2-methylbut-1-enyl]prop-2-en-1-imine
CID 168999291
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(E)-N-(2-methoxyethyl)-N,2,3-trimethyl-4-(prop-2-enylideneamino)but-3-en-1-amine
CID 143265068
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol?
The IUPAC name of (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol (CID 163779494) is (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol.
What is the SMILES notation for (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol?
The canonical SMILES for (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol is C=C/C=N/C=C(/CC)C(C)O.
What is the InChIKey of (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol?
The InChIKey is MNKYYICZWQQHNT-ODUODFHUSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-10-7-9(5-2)8(3)11/h4,6-8,11H,1,5H2,2-3H3/b9-7-,10-6+.
What are the key properties of (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol?
(3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(prop-2-enylideneamino)methylidene]pentan-2-ol is sourced from PubChem (CID 163779494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).