(1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol

C9H15NO — CID 58752697

IUPAC(1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol
SMILESCNCC[C@H](O)C1=CC=CC1
InChIInChI=1S/C9H15NO/c1-10-7-6-9(11)8-4-2-3-5-8/h2-4,9-11H,5-7H2,1H3/t9-/m0/s1
InChIKeyDJXXGXROBFLAMX-VIFPVBQESA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds4

About (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol

(1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol (PubChem CID 58752697) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol
PubChem CID58752697
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol
SMILESCNCC[C@H](O)C1=CC=CC1
InChIInChI=1S/C9H15NO/c1-10-7-6-9(11)8-4-2-3-5-8/h2-4,9-11H,5-7H2,1H3/t9-/m0/s1
InChIKeyDJXXGXROBFLAMX-VIFPVBQESA-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 (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol?
The IUPAC name of (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol (CID 58752697) is (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol.
What is the SMILES notation for (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol?
The canonical SMILES for (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol is CNCC[C@H](O)C1=CC=CC1.
What is the InChIKey of (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol?
The InChIKey is DJXXGXROBFLAMX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-6-9(11)8-4-2-3-5-8/h2-4,9-11H,5-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol?
(1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-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 (1S)-1-cyclopenta-1,3-dien-1-yl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 58752697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).