(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol

C10H17NO — CID 89339374

IUPAC(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol
SMILESC=C(C)NC(=C/CC)/C(O)=C\C
InChIInChI=1S/C10H17NO/c1-5-7-9(10(12)6-2)11-8(3)4/h6-7,11-12H,3,5H2,1-2,4H3/b9-7+,10-6+
InChIKeyPBVMJARCULQOFT-IDXDHNASSA-N
MW167.25 g/mol
LogP2.87
Rot. Bonds4

About (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol

(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol (PubChem CID 89339374) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol
PubChem CID89339374
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol
SMILESC=C(C)NC(=C/CC)/C(O)=C\C
InChIInChI=1S/C10H17NO/c1-5-7-9(10(12)6-2)11-8(3)4/h6-7,11-12H,3,5H2,1-2,4H3/b9-7+,10-6+
InChIKeyPBVMJARCULQOFT-IDXDHNASSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol?
The IUPAC name of (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol (CID 89339374) is (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol?
The canonical SMILES for (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol is C=C(C)NC(=C/CC)/C(O)=C\C.
What is the InChIKey of (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol?
The InChIKey is PBVMJARCULQOFT-IDXDHNASSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-9(10(12)6-2)11-8(3)4/h6-7,11-12H,3,5H2,1-2,4H3/b9-7+,10-6+.
What are the key properties of (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol?
(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol has a molecular weight of 167.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol is sourced from PubChem (CID 89339374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).