(3Z)-5-aminohepta-1,3-dien-2-ol

C7H13NO — CID 147712752

IUPAC(3Z)-5-aminohepta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(N)CC
InChIInChI=1S/C7H13NO/c1-3-7(8)5-4-6(2)9/h4-5,7,9H,2-3,8H2,1H3/b5-4-
InChIKeyGVAOKJOXYKVZRE-PLNGDYQASA-N
MW127.19 g/mol
LogP1.35
Rot. Bonds3

About (3Z)-5-aminohepta-1,3-dien-2-ol

(3Z)-5-aminohepta-1,3-dien-2-ol (PubChem CID 147712752) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3Z)-5-aminohepta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-5-aminohepta-1,3-dien-2-ol
PubChem CID147712752
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3Z)-5-aminohepta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(N)CC
InChIInChI=1S/C7H13NO/c1-3-7(8)5-4-6(2)9/h4-5,7,9H,2-3,8H2,1H3/b5-4-
InChIKeyGVAOKJOXYKVZRE-PLNGDYQASA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octa-1,3-diene-2,5-diol
CID 141007502
(3Z)-octa-1,3-diene-2,5-diamine
CID 166682771
1-fluorohept-3-ene-2,5-diamine
CID 54476360
(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol
CID 88860263
(E)-4-aminohept-2-enoic acid
CID 116940801
1,1-difluorohept-3-ene-2,5-diamine
CID 54131887
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
non-4-en-3-amine
CID 123679589
5-ethylhept-4-en-3-amine;hydrochloride
CID 173326554
3-amino-2-methylidenepentanoic acid
CID 23312012
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
3-aminopent-1-ene-2-thiol
CID 153133138

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-aminohepta-1,3-dien-2-ol?
The IUPAC name of (3Z)-5-aminohepta-1,3-dien-2-ol (CID 147712752) is (3Z)-5-aminohepta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-5-aminohepta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-5-aminohepta-1,3-dien-2-ol is C=C(O)/C=C\C(N)CC.
What is the InChIKey of (3Z)-5-aminohepta-1,3-dien-2-ol?
The InChIKey is GVAOKJOXYKVZRE-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(8)5-4-6(2)9/h4-5,7,9H,2-3,8H2,1H3/b5-4-.
What are the key properties of (3Z)-5-aminohepta-1,3-dien-2-ol?
(3Z)-5-aminohepta-1,3-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-aminohepta-1,3-dien-2-ol is sourced from PubChem (CID 147712752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).