[(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol

C10H17NO — CID 101377152

IUPAC[(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol
SMILESC[C@H](C1=C[C@@H](CO)C=C1)N(C)C
InChIInChI=1S/C10H17NO/c1-8(11(2)3)10-5-4-9(6-10)7-12/h4-6,8-9,12H,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyRNHURFYIEFQVRH-BDAKNGLRSA-N
MW167.25 g/mol
LogP1.04
Rot. Bonds3

About [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol

[(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol (PubChem CID 101377152) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol
PubChem CID101377152
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol
SMILESC[C@H](C1=C[C@@H](CO)C=C1)N(C)C
InChIInChI=1S/C10H17NO/c1-8(11(2)3)10-5-4-9(6-10)7-12/h4-6,8-9,12H,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyRNHURFYIEFQVRH-BDAKNGLRSA-N
XLogP1.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol?
The IUPAC name of [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol (CID 101377152) is [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol is C[C@H](C1=C[C@@H](CO)C=C1)N(C)C.
What is the InChIKey of [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol?
The InChIKey is RNHURFYIEFQVRH-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(11(2)3)10-5-4-9(6-10)7-12/h4-6,8-9,12H,7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol?
[(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]methanol is sourced from PubChem (CID 101377152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).