(Z)-2-(methylideneamino)hept-2-en-3-ol

C8H15NO — CID 143471984

IUPAC(Z)-2-(methylideneamino)hept-2-en-3-ol
SMILESC=N/C(C)=C(\O)CCCC
InChIInChI=1S/C8H15NO/c1-4-5-6-8(10)7(2)9-3/h10H,3-6H2,1-2H3/b8-7-
InChIKeyBBLOEUWSYNIGTE-FPLPWBNLSA-N
MW141.21 g/mol
LogP2.67
Rot. Bonds4

About (Z)-2-(methylideneamino)hept-2-en-3-ol

(Z)-2-(methylideneamino)hept-2-en-3-ol (PubChem CID 143471984) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-2-(methylideneamino)hept-2-en-3-ol.

Molecular Properties

Compound Name(Z)-2-(methylideneamino)hept-2-en-3-ol
PubChem CID143471984
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-2-(methylideneamino)hept-2-en-3-ol
SMILESC=N/C(C)=C(\O)CCCC
InChIInChI=1S/C8H15NO/c1-4-5-6-8(10)7(2)9-3/h10H,3-6H2,1-2H3/b8-7-
InChIKeyBBLOEUWSYNIGTE-FPLPWBNLSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methylhex-1-ene
CID 158402499
2-methylidenehexanoic acid;zinc
CID 174824467
3-methylhept-2-en-2-ol
CID 73309482
(2E)-2-ethylidene-N-methylidenehexanamide
CID 129137077
ethane;2-methylidenehexanoic acid
CID 162072915
acetic acid;pentanoic acid
CID 87061456
ethene;hexan-2-one
CID 88765599
dodec-1-ene-1,1,2-triol
CID 139766623
N-methylidenehexacosanamide
CID 89187174
N-methylidenedocosanamide
CID 175417802
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
N,2,3,4,5,6-hexamethylidenedecanamide
CID 139561856

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylideneamino)hept-2-en-3-ol?
The IUPAC name of (Z)-2-(methylideneamino)hept-2-en-3-ol (CID 143471984) is (Z)-2-(methylideneamino)hept-2-en-3-ol.
What is the SMILES notation for (Z)-2-(methylideneamino)hept-2-en-3-ol?
The canonical SMILES for (Z)-2-(methylideneamino)hept-2-en-3-ol is C=N/C(C)=C(\O)CCCC.
What is the InChIKey of (Z)-2-(methylideneamino)hept-2-en-3-ol?
The InChIKey is BBLOEUWSYNIGTE-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-8(10)7(2)9-3/h10H,3-6H2,1-2H3/b8-7-.
What are the key properties of (Z)-2-(methylideneamino)hept-2-en-3-ol?
(Z)-2-(methylideneamino)hept-2-en-3-ol has a molecular weight of 141.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylideneamino)hept-2-en-3-ol is sourced from PubChem (CID 143471984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).