1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol

C9H15NO — CID 15258902

IUPAC1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol
SMILESCC(O)CNCC1=CC=CC1
InChIInChI=1S/C9H15NO/c1-8(11)6-10-7-9-4-2-3-5-9/h2-4,8,10-11H,5-7H2,1H3
InChIKeyZIOIWINTCONFKF-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds4

About 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol

1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol (PubChem CID 15258902) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol
PubChem CID15258902
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol
SMILESCC(O)CNCC1=CC=CC1
InChIInChI=1S/C9H15NO/c1-8(11)6-10-7-9-4-2-3-5-9/h2-4,8,10-11H,5-7H2,1H3
InChIKeyZIOIWINTCONFKF-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol (CID 15258902) is 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol is CC(O)CNCC1=CC=CC1.
What is the InChIKey of 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol?
The InChIKey is ZIOIWINTCONFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(11)6-10-7-9-4-2-3-5-9/h2-4,8,10-11H,5-7H2,1H3.
What are the key properties of 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol?
1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol is sourced from PubChem (CID 15258902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).