[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol

C9H15NO — CID 137194551

IUPAC[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol
SMILESCN(C)CC1=C(CO)C=CC1
InChIInChI=1S/C9H15NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3,5,11H,4,6-7H2,1-2H3
InChIKeyJZHVOTHGHRNLDB-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.80
Rot. Bonds3

About [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol

[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol (PubChem CID 137194551) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol
PubChem CID137194551
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol
SMILESCN(C)CC1=C(CO)C=CC1
InChIInChI=1S/C9H15NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3,5,11H,4,6-7H2,1-2H3
InChIKeyJZHVOTHGHRNLDB-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol?
The IUPAC name of [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol (CID 137194551) is [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol.
What is the SMILES notation for [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol?
The canonical SMILES for [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol is CN(C)CC1=C(CO)C=CC1.
What is the InChIKey of [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol?
The InChIKey is JZHVOTHGHRNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3,5,11H,4,6-7H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol?
[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol has a molecular weight of 153.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol is sourced from PubChem (CID 137194551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).