1-(2-iminocyclopropyl)propan-2-ol

C6H11NO — CID 123742853

IUPAC1-(2-iminocyclopropyl)propan-2-ol
SMILES[H]/N=C1\CC1CC(C)O
InChIInChI=1S/C6H11NO/c1-4(8)2-5-3-6(5)7/h4-5,7-8H,2-3H2,1H3/b7-6+
InChIKeyHJHYBCQRLMXPEB-VOTSOKGWSA-N
MW113.16 g/mol
LogP0.80
Rot. Bonds2

About 1-(2-iminocyclopropyl)propan-2-ol

1-(2-iminocyclopropyl)propan-2-ol (PubChem CID 123742853) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(2-iminocyclopropyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-iminocyclopropyl)propan-2-ol
PubChem CID123742853
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-(2-iminocyclopropyl)propan-2-ol
SMILES[H]/N=C1\CC1CC(C)O
InChIInChI=1S/C6H11NO/c1-4(8)2-5-3-6(5)7/h4-5,7-8H,2-3H2,1H3/b7-6+
InChIKeyHJHYBCQRLMXPEB-VOTSOKGWSA-N
XLogP0.80
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Imino-2-methylhexan-1-ol
CID 57255166
3-Imino-4-methylpentan-2-ol
CID 88890997
5-Imino-3-methylhexan-1-ol
CID 91029118
5-Iminohexan-2-ol
CID 123573837
5-Imino-6-methylheptan-3-ol
CID 123862877
4-Imino-5-methylhexan-3-ol
CID 132194420
4-Imino-5-methylhexane-2,3-diol
CID 132194442
(4S)-3-imino-4-methylhexan-2-ol
CID 141993940
4-Iminohexan-2-ol
CID 142041355
3-Imino-4-methylcyclopentan-1-ol
CID 145156750
(2R)-4-imino-2-methylpentan-1-ol
CID 147626949
2-Cyclopropyl-2-iminoethanol
CID 173692999

Frequently Asked Questions

What is the IUPAC name of 1-(2-iminocyclopropyl)propan-2-ol?
The IUPAC name of 1-(2-iminocyclopropyl)propan-2-ol (CID 123742853) is 1-(2-iminocyclopropyl)propan-2-ol.
What is the SMILES notation for 1-(2-iminocyclopropyl)propan-2-ol?
The canonical SMILES for 1-(2-iminocyclopropyl)propan-2-ol is [H]/N=C1\CC1CC(C)O.
What is the InChIKey of 1-(2-iminocyclopropyl)propan-2-ol?
The InChIKey is HJHYBCQRLMXPEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO/c1-4(8)2-5-3-6(5)7/h4-5,7-8H,2-3H2,1H3/b7-6+.
What are the key properties of 1-(2-iminocyclopropyl)propan-2-ol?
1-(2-iminocyclopropyl)propan-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iminocyclopropyl)propan-2-ol is sourced from PubChem (CID 123742853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).