2-(propylamino)cyclopenta-1,3-dien-1-ol

C8H13NO — CID 152603763

IUPAC2-(propylamino)cyclopenta-1,3-dien-1-ol
SMILESCCCNC1=C(O)CC=C1
InChIInChI=1S/C8H13NO/c1-2-6-9-7-4-3-5-8(7)10/h3-4,9-10H,2,5-6H2,1H3
InChIKeyYYBWTQRSNZWUAP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.72
Rot. Bonds3

About 2-(propylamino)cyclopenta-1,3-dien-1-ol

2-(propylamino)cyclopenta-1,3-dien-1-ol (PubChem CID 152603763) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(propylamino)cyclopenta-1,3-dien-1-ol.

Molecular Properties

Compound Name2-(propylamino)cyclopenta-1,3-dien-1-ol
PubChem CID152603763
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(propylamino)cyclopenta-1,3-dien-1-ol
SMILESCCCNC1=C(O)CC=C1
InChIInChI=1S/C8H13NO/c1-2-6-9-7-4-3-5-8(7)10/h3-4,9-10H,2,5-6H2,1H3
InChIKeyYYBWTQRSNZWUAP-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylidene-2,3-dihydro-1H-pyridin-4-ol
CID 68029376
(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
CID 143284640
4-(Methylamino)cyclohepta-1,3,5-trien-1-ol
CID 143531361
(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol
CID 143595513
2-(Ethylamino)cyclohepta-1,3,6-trien-1-ol
CID 143176336
(3E,5E)-6-(ethenylamino)hepta-3,5-dien-3-ol
CID 145513271

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)cyclopenta-1,3-dien-1-ol?
The IUPAC name of 2-(propylamino)cyclopenta-1,3-dien-1-ol (CID 152603763) is 2-(propylamino)cyclopenta-1,3-dien-1-ol.
What is the SMILES notation for 2-(propylamino)cyclopenta-1,3-dien-1-ol?
The canonical SMILES for 2-(propylamino)cyclopenta-1,3-dien-1-ol is CCCNC1=C(O)CC=C1.
What is the InChIKey of 2-(propylamino)cyclopenta-1,3-dien-1-ol?
The InChIKey is YYBWTQRSNZWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-9-7-4-3-5-8(7)10/h3-4,9-10H,2,5-6H2,1H3.
What are the key properties of 2-(propylamino)cyclopenta-1,3-dien-1-ol?
2-(propylamino)cyclopenta-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)cyclopenta-1,3-dien-1-ol is sourced from PubChem (CID 152603763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).