(1-prop-2-enylcyclopropyl)methanol

C7H12O — CID 534677

IUPAC(1-prop-2-enylcyclopropyl)methanol
SMILESC=CCC1(CO)CC1
InChIInChI=1S/C7H12O/c1-2-3-7(6-8)4-5-7/h2,8H,1,3-6H2
InChIKeyAYOAQRKTFULVDJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.34
Rot. Bonds3

About (1-prop-2-enylcyclopropyl)methanol

(1-prop-2-enylcyclopropyl)methanol (PubChem CID 534677) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1-prop-2-enylcyclopropyl)methanol.

Molecular Properties

Compound Name(1-prop-2-enylcyclopropyl)methanol
PubChem CID534677
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1-prop-2-enylcyclopropyl)methanol
SMILESC=CCC1(CO)CC1
InChIInChI=1S/C7H12O/c1-2-3-7(6-8)4-5-7/h2,8H,1,3-6H2
InChIKeyAYOAQRKTFULVDJ-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
1-(chloromethyl)-1-prop-2-enylcyclopropane
CID 130618366
2-(1-prop-2-enylcyclohexyl)acetaldehyde
CID 163359647
1,4-bis(prop-2-enyl)cyclohexane-1,4-diol
CID 15275260
4-ethyl-1,1-bis(prop-2-enyl)cyclohexane
CID 163799692
(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
CID 130348395
1-[4,4-bis(prop-2-enyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 70579578
1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
1-octyl-1-prop-2-enylcyclopropane
CID 134979265
trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
CID 71726289
[1-(chloromethyl)cyclopropyl]methanol
CID 12920386
tris([1-(hydroxymethyl)cyclodecyl]methanol);prop-2-enoic acid
CID 66920512

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-enylcyclopropyl)methanol?
The IUPAC name of (1-prop-2-enylcyclopropyl)methanol (CID 534677) is (1-prop-2-enylcyclopropyl)methanol.
What is the SMILES notation for (1-prop-2-enylcyclopropyl)methanol?
The canonical SMILES for (1-prop-2-enylcyclopropyl)methanol is C=CCC1(CO)CC1.
What is the InChIKey of (1-prop-2-enylcyclopropyl)methanol?
The InChIKey is AYOAQRKTFULVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-7(6-8)4-5-7/h2,8H,1,3-6H2.
What are the key properties of (1-prop-2-enylcyclopropyl)methanol?
(1-prop-2-enylcyclopropyl)methanol has a molecular weight of 112.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclopropyl)methanol is sourced from PubChem (CID 534677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).