(1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol

C6H9NO — CID 163795858

IUPAC(1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol
SMILESCNC1=CC=C[C@@H]1O
InChIInChI=1S/C6H9NO/c1-7-5-3-2-4-6(5)8/h2-4,6-8H,1H3/t6-/m0/s1
InChIKeyNASFUMNTSNNHCJ-LURJTMIESA-N
MW111.14 g/mol
LogP0.02
Rot. Bonds1

About (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol

(1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol (PubChem CID 163795858) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol
PubChem CID163795858
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol
SMILESCNC1=CC=C[C@@H]1O
InChIInChI=1S/C6H9NO/c1-7-5-3-2-4-6(5)8/h2-4,6-8H,1H3/t6-/m0/s1
InChIKeyNASFUMNTSNNHCJ-LURJTMIESA-N
XLogP0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10080375
(E)-1-(methylamino)pent-3-en-2-ol
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CID 22019450
1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
CID 23223031
(2R)-1-(methylamino)pent-3-en-2-ol
CID 53915914
2,3-dihydro-1H-pyrrol-5-ylmethanol
CID 69640924
1-(1,4-Dihydropyridin-2-yl)prop-2-en-1-ol
CID 70450059
1-(2,3-dihydro-1H-pyrrol-5-yl)prop-2-en-1-ol
CID 70498359
1-(Methylamino)pent-3-en-2-ol
CID 73200450
(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
CID 90295812
(E,2R)-3-(methylamino)oct-3-en-2-ol
CID 124082097
(2S,3Z,5Z,7E)-7-methyl-3-(methylamino)nona-3,5,7-trien-2-ol
CID 130224027

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol?
The IUPAC name of (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol (CID 163795858) is (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol.
What is the SMILES notation for (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol?
The canonical SMILES for (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol is CNC1=CC=C[C@@H]1O.
What is the InChIKey of (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol?
The InChIKey is NASFUMNTSNNHCJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO/c1-7-5-3-2-4-6(5)8/h2-4,6-8H,1H3/t6-/m0/s1.
What are the key properties of (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol?
(1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(methylamino)cyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 163795858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).